Crystallography Open Database

Information card for entry 7705005

Preview

Coordinates	7705005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H60 Cl10 F6 Fe2 P4 Pd2
Calculated formula	C82 H60 Cl10 F6 Fe2 P4 Pd2
Title of publication	Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling.
Authors of publication	Gallego, Ana M.; Peñas-Defrutos, Marconi N; Marcos-Ayuso, Guillermo; Martin-Alvarez, Jose M; Martínez-Ilarduya, Jesús M; Espinet, Pablo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	32
Pages of publication	11336 - 11345
a	12.1035 ± 0.0008 Å
b	13.6408 ± 0.0011 Å
c	14.2807 ± 0.0009 Å
α	102.276 ± 0.006°
β	104.322 ± 0.006°
γ	114.833 ± 0.007°
Cell volume	1934.3 ± 0.3 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1923
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
256068 (current)	2020-09-06	cif/ Updating files of 7705001, 7705002, 7705003, 7705004, 7705005, 7705006 Original log message: Adding full bibliography for 7705001--7705006.cif.	7705005.cif
254761	2020-08-04	cif/ Adding structures of 7705001, 7705002, 7705003, 7705004, 7705005, 7705006 via cif-deposit CGI script.	7705005.cif